4-cyclohexyl-6-N-(2-methoxy-4-morpholin-4-ylphenyl)-3-(1,3,4-oxadiazol-2-yl)-2,7-dihydropyrazolo[3,4-d]pyrimidine-4,6-diamine

C24H31N9O3 — CID 175908426

IUPAC4-cyclohexyl-6-N-(2-methoxy-4-morpholin-4-ylphenyl)-3-(1,3,4-oxadiazol-2-yl)-2,7-dihydropyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCOc1cc(N2CCOCC2)ccc1NC1=NC(N)(C2CCCCC2)c2c(n[nH]c2-c2nnco2)N1
InChIInChI=1S/C24H31N9O3/c1-34-18-13-16(33-9-11-35-12-10-33)7-8-17(18)27-23-28-21-19(20(30-31-21)22-32-26-14-36-22)24(25,29-23)15-5-3-2-4-6-15/h7-8,13-15H,2-6,9-12,25H2,1H3,(H3,27,28,29,30,31)
InChIKeyOPMYXXJVAMMGHO-UHFFFAOYSA-N
MW493.57 g/mol
LogP2.89
Rot. Bonds5

About 4-cyclohexyl-6-N-(2-methoxy-4-morpholin-4-ylphenyl)-3-(1,3,4-oxadiazol-2-yl)-2,7-dihydropyrazolo[3,4-d]pyrimidine-4,6-diamine

4-cyclohexyl-6-N-(2-methoxy-4-morpholin-4-ylphenyl)-3-(1,3,4-oxadiazol-2-yl)-2,7-dihydropyrazolo[3,4-d]pyrimidine-4,6-diamine (PubChem CID 175908426) has the molecular formula C24H31N9O3 and a molecular weight of 493.57 g/mol. Its IUPAC name is 4-cyclohexyl-6-N-(2-methoxy-4-morpholin-4-ylphenyl)-3-(1,3,4-oxadiazol-2-yl)-2,7-dihydropyrazolo[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-cyclohexyl-6-N-(2-methoxy-4-morpholin-4-ylphenyl)-3-(1,3,4-oxadiazol-2-yl)-2,7-dihydropyrazolo[3,4-d]pyrimidine-4,6-diamine
PubChem CID175908426
Molecular FormulaC24H31N9O3
Molecular Weight493.57 g/mol
Exact Mass493.25
IUPAC Name4-cyclohexyl-6-N-(2-methoxy-4-morpholin-4-ylphenyl)-3-(1,3,4-oxadiazol-2-yl)-2,7-dihydropyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCOc1cc(N2CCOCC2)ccc1NC1=NC(N)(C2CCCCC2)c2c(n[nH]c2-c2nnco2)N1
InChIInChI=1S/C24H31N9O3/c1-34-18-13-16(33-9-11-35-12-10-33)7-8-17(18)27-23-28-21-19(20(30-31-21)22-32-26-14-36-22)24(25,29-23)15-5-3-2-4-6-15/h7-8,13-15H,2-6,9-12,25H2,1H3,(H3,27,28,29,30,31)
InChIKeyOPMYXXJVAMMGHO-UHFFFAOYSA-N
XLogP2.89
TPSA151.74 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.57
LogP ≤ 52.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 4-cyclohexyl-6-N-(2-methoxy-4-morpholin-4-ylphenyl)-3-(1,3,4-oxadiazol-2-yl)-2,7-dihydropyrazolo[3,4-d]pyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-6-N-(2-methoxy-4-morpholin-4-ylphenyl)-3-(1,3,4-oxadiazol-2-yl)-2,7-dihydropyrazolo[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 4-cyclohexyl-6-N-(2-methoxy-4-morpholin-4-ylphenyl)-3-(1,3,4-oxadiazol-2-yl)-2,7-dihydropyrazolo[3,4-d]pyrimidine-4,6-diamine (CID 175908426) is 4-cyclohexyl-6-N-(2-methoxy-4-morpholin-4-ylphenyl)-3-(1,3,4-oxadiazol-2-yl)-2,7-dihydropyrazolo[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-cyclohexyl-6-N-(2-methoxy-4-morpholin-4-ylphenyl)-3-(1,3,4-oxadiazol-2-yl)-2,7-dihydropyrazolo[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 4-cyclohexyl-6-N-(2-methoxy-4-morpholin-4-ylphenyl)-3-(1,3,4-oxadiazol-2-yl)-2,7-dihydropyrazolo[3,4-d]pyrimidine-4,6-diamine is COc1cc(N2CCOCC2)ccc1NC1=NC(N)(C2CCCCC2)c2c(n[nH]c2-c2nnco2)N1.
What is the InChIKey of 4-cyclohexyl-6-N-(2-methoxy-4-morpholin-4-ylphenyl)-3-(1,3,4-oxadiazol-2-yl)-2,7-dihydropyrazolo[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is OPMYXXJVAMMGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N9O3/c1-34-18-13-16(33-9-11-35-12-10-33)7-8-17(18)27-23-28-21-19(20(30-31-21)22-32-26-14-36-22)24(25,29-23)15-5-3-2-4-6-15/h7-8,13-15H,2-6,9-12,25H2,1H3,(H3,27,28,29,30,31).
What are the key properties of 4-cyclohexyl-6-N-(2-methoxy-4-morpholin-4-ylphenyl)-3-(1,3,4-oxadiazol-2-yl)-2,7-dihydropyrazolo[3,4-d]pyrimidine-4,6-diamine?
4-cyclohexyl-6-N-(2-methoxy-4-morpholin-4-ylphenyl)-3-(1,3,4-oxadiazol-2-yl)-2,7-dihydropyrazolo[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 493.57 g/mol, XLogP of 2.89, 5 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-6-N-(2-methoxy-4-morpholin-4-ylphenyl)-3-(1,3,4-oxadiazol-2-yl)-2,7-dihydropyrazolo[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 175908426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).